| Breaking adsorption-energy scaling limitations of electrocatalytic nitrate reduction on intermetallic CuPd nanocubes by machine-learned insights Q Gao, HS Pillai, Y Huang, S Liu, Q Mu, X Han, Z Yan, H Zhou, Q He, ... Nature Communications 13 (1), 2338, 2022 | 245 | 2022 |
| High-performance ammonia oxidation catalysts for anion-exchange membrane direct ammonia fuel cells Y Li, HS Pillai, T Wang, S Hwang, Y Zhao, Z Qiao, Q Mu, S Karakalos, ... Energy & Environmental Science 14 (3), 1449-1460, 2021 | 149 | 2021 |
| Ternary PtIrNi catalysts for efficient electrochemical ammonia oxidation Y Li, X Li, HS Pillai, J Lattimer, N Mohd Adli, S Karakalos, M Chen, L Guo, ... ACS Catalysis 10 (7), 3945-3957, 2020 | 149 | 2020 |
| Bridging the complexity gap in computational heterogeneous catalysis with machine learning T Mou, HS Pillai, S Wang, M Wan, X Han, NM Schweitzer, F Che, H Xin Nature Catalysis 6 (2), 122-136, 2023 | 127 | 2023 |
| Synthesis of core/shell nanocrystals with ordered intermetallic single-atom alloy layers for nitrate electroreduction to ammonia Q Gao, B Yao, HS Pillai, W Zang, X Han, Y Liu, SW Yu, Z Yan, B Min, ... Nature Synthesis 2 (7), 624-634, 2023 | 112 | 2023 |
| New insights into electrochemical ammonia oxidation on Pt (100) from first principles HS Pillai, H Xin Industrial & Engineering Chemistry Research 58 (25), 10819-10828, 2019 | 97 | 2019 |
| Infusing theory into deep learning for interpretable reactivity prediction SH Wang, HS Pillai, S Wang, LEK Achenie, H Xin Nature communications 12 (1), 5288, 2021 | 96 | 2021 |
| Bayesian learning of chemisorption for bridging the complexity of electronic descriptors S Wang, HS Pillai, H Xin Nature communications 11 (1), 6132, 2020 | 58 | 2020 |
| Interpretable design of Ir-free trimetallic electrocatalysts for ammonia oxidation with graph neural networks HS Pillai, Y Li, SH Wang, N Omidvar, Q Mu, LEK Achenie, ... Nature communications 14 (1), 792, 2023 | 51 | 2023 |
| Interpretable machine learning of chemical bonding at solid surfaces N Omidvar, HS Pillai, SH Wang, T Mou, S Wang, A Athawale, ... The Journal of Physical Chemistry Letters 12 (46), 11476-11487, 2021 | 38 | 2021 |
| Atomic Layers of B2 CuPd on Cu Nanocubes as Catalysts for Selective Hydrogenation Q Gao, Z Yan, W Zhang, HS Pillai, B Yao, W Zang, Y Liu, X Han, B Min, ... Journal of the American Chemical Society 145 (36), 19961-19968, 2023 | 24 | 2023 |
| Identification of active sites for ammonia electrosynthesis on ruthenium L Hu, HS Pillai, C Feit, K Shi, Z Gao, P Banerjee, H Xin, X Feng ACS Energy Letters 7 (12), 4290-4298, 2022 | 23 | 2022 |
| Interpretable Machine Learning for Catalytic Materials Design toward Sustainability H Xin, T Mou, HS Pillai, SH Wang, Y Huang Accounts of Materials Research 5 (1), 22-34, 2023 | 17 | 2023 |
| Exploring mesoscopic mass transport effects on electrocatalytic selectivity HH Heenen, HS Pillai, K Reuter, VJ Bukas Nature Catalysis, 1-8, 2024 | 10 | 2024 |
| Recent Advances and Fundamental Challenges in Computational Modeling of Electrocatalytic Ammonia Oxidation R Perez, Y Huang, HS Pillai, H Xin ACS ES&T Engineering 4 (2), 269-276, 2023 | 5 | 2023 |
| Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis HS Pillai, HH Heenen, K Reuter, VJ Bukas Current Opinion in Electrochemistry, 101631, 2024 | | 2024 |
Hongliang Xin（辛洪良）Virginia TechVerificeret mail på vt.edu